BDBM637677 US11834414, Compound CHMSA-02-B

SMILES C[C@]1(O)CC[C@@H](CS(=O)(=O)c2ccc(-c3ccc(C#N)cc3F)cc2C(F)(F)F)CC1

InChI Key InChIKey=PPQUHOIGWUETFJ-UHFFFAOYSA-N

Data  5 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 637677   

TargetCytochrome P450 2C9(Human)
Modern Biosciences

US Patent
LigandChemical structure of BindingDB Monomer ID 637677BDBM637677(US11834414, Compound CHMSA-02-B)
Affinity DataIC50: 1.00E+4nMAssay Description:CYP450 enzymes (final protein 75 pmol/mL for CYP1A2; 12.5 pmol/mL for CYP2C19; and 25 pmol/mL for CYP2C9, 2D6, and 3A4), 0.1 M phosphate buffer pH 7....More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/23/2024
Entry Details
US Patent

TargetCytochrome P450 2C19(Human)
Modern Biosciences

US Patent
LigandChemical structure of BindingDB Monomer ID 637677BDBM637677(US11834414, Compound CHMSA-02-B)
Affinity DataIC50: 1.00E+4nMAssay Description:CYP450 enzymes (final protein 75 pmol/mL for CYP1A2; 12.5 pmol/mL for CYP2C19; and 25 pmol/mL for CYP2C9, 2D6, and 3A4), 0.1 M phosphate buffer pH 7....More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/23/2024
Entry Details
US Patent

TargetCytochrome P450 2D6(Human)
Modern Biosciences

US Patent
LigandChemical structure of BindingDB Monomer ID 637677BDBM637677(US11834414, Compound CHMSA-02-B)
Affinity DataIC50: 1.00E+4nMAssay Description:CYP450 enzymes (final protein 75 pmol/mL for CYP1A2; 12.5 pmol/mL for CYP2C19; and 25 pmol/mL for CYP2C9, 2D6, and 3A4), 0.1 M phosphate buffer pH 7....More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/23/2024
Entry Details
US Patent

TargetCytochrome P450 3A4(Human)
Modern Biosciences

US Patent
LigandChemical structure of BindingDB Monomer ID 637677BDBM637677(US11834414, Compound CHMSA-02-B)
Affinity DataIC50: 1.00E+4nMAssay Description:CYP450 enzymes (final protein 75 pmol/mL for CYP1A2; 12.5 pmol/mL for CYP2C19; and 25 pmol/mL for CYP2C9, 2D6, and 3A4), 0.1 M phosphate buffer pH 7....More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/23/2024
Entry Details
US Patent

TargetCytochrome P450 1A2(Human)
Modern Biosciences

US Patent
LigandChemical structure of BindingDB Monomer ID 637677BDBM637677(US11834414, Compound CHMSA-02-B)
Affinity DataIC50: 1.00E+4nMAssay Description:CYP450 enzymes (final protein 75 pmol/mL for CYP1A2; 12.5 pmol/mL for CYP2C19; and 25 pmol/mL for CYP2C9, 2D6, and 3A4), 0.1 M phosphate buffer pH 7....More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/23/2024
Entry Details
US Patent